2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide

C17H15Cl2F3N2O4S2 — CID 57378761

IUPAC2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c1-24(2)16(25)9-29(26)15-6-3-10(18)7-14(15)23-30(27,28)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3
InChIKeyCBFOBBZLDIJMFO-UHFFFAOYSA-N
MW503.35 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide

2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide (PubChem CID 57378761) has the molecular formula C17H15Cl2F3N2O4S2 and a molecular weight of 503.35 g/mol. Its IUPAC name is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide
PubChem CID57378761
Molecular FormulaC17H15Cl2F3N2O4S2
Molecular Weight503.35 g/mol
Exact Mass501.98
IUPAC Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c1-24(2)16(25)9-29(26)15-6-3-10(18)7-14(15)23-30(27,28)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3
InChIKeyCBFOBBZLDIJMFO-UHFFFAOYSA-N
XLogP4.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide (CID 57378761) is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide?
The InChIKey is CBFOBBZLDIJMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S2/c1-24(2)16(25)9-29(26)15-6-3-10(18)7-14(15)23-30(27,28)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3.
What are the key properties of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide?
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide has a molecular weight of 503.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylacetamide is sourced from PubChem (CID 57378761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).